UCSF

ZINC21640115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 9.08 -9.48 0 6 0 45 433.531 5
Lo Low (pH 4.5-6) 4.22 9.38 -37.15 1 6 1 46 434.539 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )